P680-0100 Screening compound: 4-hydroxy-1-methyl-3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-2-one

P680-0100 Screening compound: 4-hydroxy-1-methyl-3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-2-one
P680-0100 Screening compound: 4-hydroxy-1-methyl-3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P680-0100
4-hydroxy-1-methyl-3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-2-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

P680-0100

Molecular Formula

C16H11N3O3S (C16 H11 N3 O3 S)

Compound Name

4-hydroxy-1-methyl-3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydroquinolin-2-one

IUPAC name

4-hydroxy-1-methyl-3-[3-(thiophen-2-yl)-124-oxadiazol-5-yl]-12-dihydroquinolin-2-one

SMILES

CN(c(cccc1)c1C(O)=C1c2nc(-c3cccs3)no2)C1=O

InChI

InChI=1S/C16H11N3O3S/c1-19-10-6-3-2-5-9(10)13(20)12(16(19)21)15-17-14(18-22-15)11-7-4-8-23-11/h2-8,20H,1H3

InChI Key

AROLAWHYMIRWPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22684188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.437

Distribution Coefficient, logD

-1.275

Water Solubility, LogSw

-2.77

Polar Surface Area

62.874

Acid Dissociation Constant (pKa)

3.69

Base Dissociation Constant (pKb)

-6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

P680-0100 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P680-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P680-0100?
Check Price and Availability of P680-0100, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P680-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P680-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P680-0100
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of P680-0100 available by request